1-(2-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)methanesulfonamide

C10H11FN4O2S — CID 75485000

IUPAC1-(2-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)methanesulfonamide
SMILESCn1ncnc1NS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C10H11FN4O2S/c1-15-10(12-7-13-15)14-18(16,17)6-8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H,12,13,14)
InChIKeyUDJUSMDMERBLIF-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.90
Rot. Bonds4

About 1-(2-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)methanesulfonamide

1-(2-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)methanesulfonamide (PubChem CID 75485000) has the molecular formula C10H11FN4O2S and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)methanesulfonamide
PubChem CID75485000
Molecular FormulaC10H11FN4O2S
Molecular Weight270.29 g/mol
Exact Mass270.06
IUPAC Name1-(2-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)methanesulfonamide
SMILESCn1ncnc1NS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C10H11FN4O2S/c1-15-10(12-7-13-15)14-18(16,17)6-8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H,12,13,14)
InChIKeyUDJUSMDMERBLIF-UHFFFAOYSA-N
XLogP0.90
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)-4-nitrobenzenesulfonamide
CID 82843001
1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide
CID 122299903
1-(2-fluorophenyl)-N-(5-pyridin-2-yl-2-pyridinyl)methanesulfonamide
CID 75522843
1-(2-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
CID 100567034
5-[2-[(2-fluorophenyl)methylsulfonyl]ethyl]-1-methylpyrazole
CID 167820754
1-(2-fluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide
CID 90588515
1-benzyl-3,5-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide
CID 138021177
(2S)-1-(2-fluorophenyl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 124620014
4-(4-bromophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 86814375
1-(2-fluorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide
CID 120824821
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22771717
1-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide
CID 62022653

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)methanesulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)methanesulfonamide (CID 75485000) is 1-(2-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)methanesulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)methanesulfonamide is Cn1ncnc1NS(=O)(=O)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)methanesulfonamide?
The InChIKey is UDJUSMDMERBLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S/c1-15-10(12-7-13-15)14-18(16,17)6-8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H,12,13,14).
What are the key properties of 1-(2-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)methanesulfonamide?
1-(2-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)methanesulfonamide has a molecular weight of 270.29 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)methanesulfonamide is sourced from PubChem (CID 75485000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).